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6283-71-2 | Dimethyl 2-cyanosuccinate
CAS No: 6283-71-2 Catalog No: AG0033A0 MDL No:MFCD01760090
Product Description
Catalog Number:
AG0033A0
Chemical Name:
Dimethyl 2-cyanosuccinate
CAS Number:
6283-71-2
Molecular Formula:
C7H9NO4
Molecular Weight:
171.1507
MDL Number:
MFCD01760090
IUPAC Name:
dimethyl 2-cyanobutanedioate
InChI:
InChI=1S/C7H9NO4/c1-11-6(9)3-5(4-8)7(10)12-2/h5H,3H2,1-2H3
InChI Key:
PJAMMJHRVPQDMS-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C(=O)OC)C#N
NSC Number:
7708
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.152g/mol
Monoisotopic Mass:
171.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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